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1300106-03-9 | Benzoxazole, 6-(trifluoromethyl)-
CAS No: 1300106-03-9 Catalog No: AG000TW5 MDL No:MFCD20526342
Product Description
Catalog Number:
AG000TW5
Chemical Name:
Benzoxazole, 6-(trifluoromethyl)-
CAS Number:
1300106-03-9
Molecular Formula:
C8H4F3NO
Molecular Weight:
187.1187
MDL Number:
MFCD20526342
IUPAC Name:
6-(trifluoromethyl)-1,3-benzoxazole
InChI:
InChI=1S/C8H4F3NO/c9-8(10,11)5-1-2-6-7(3-5)13-4-12-6/h1-4H
InChI Key:
LRXKDMBGOGUYFS-UHFFFAOYSA-N
SMILES:
FC(c1ccc2c(c1)ocn2)(F)F
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.024g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.121g/mol
Monoisotopic Mass:
187.024g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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